SCHEMBL5460813

SCHEMBL5460813

Nc1nc2ccccc2n1CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.60
▸ POLB P06746 1/20 0.57
▸ TLR8 Q9NR97 3/20 0.55
▸ HTT P42858 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ NOD1 Q9Y239 4/20 0.50
▸ CXCL8 P10145 2/20 0.50
▸ TNF P01375 2/20 0.50
▸ NOD2 Q9HC29 2/20 0.50
▸ SOS1 Q07889 1/20 0.50
▸ PKM P14618 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ TP53 P04637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5465812 0.86 POLB (0.58) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL8562225 0.82 POLB (0.69) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL11715808 0.82 CXCR4 (0.72) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL17749602 0.81 POLB (0.72) CXCR4POLBTLR8HTTCYP1A2
Bromide SCHEMBL11712562 0.80 CXCR4 (0.70) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL5127626 0.80 PRMT5 (0.49) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL6199065 0.79 CXCR4 (0.85) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL6930946 0.79 POLB (0.69) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL5454917 0.78 TLR8 (0.43) CXCR4POLBTLR8HTTCYP1A2
Hydrochloric Acid SCHEMBL6934113 0.78 POLB (0.67) CXCR4POLBTLR8HTTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR4 3445/4885POLB 2088/4885TLR8 3837/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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